(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol

C20H26F2O — CID 138534857

IUPAC(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
SMILESC=CC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O
InChIInChI=1S/C20H26F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h8,11-14,23H,1,4-7,9-10H2,2-3H3/b12-11-,20-19-
InChIKeyMPKJITPHHYGXLZ-KQERFQPYSA-N
MW320.42 g/mol
LogP6.67
Rot. Bonds10

About (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol

(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol (PubChem CID 138534857) has the molecular formula C20H26F2O and a molecular weight of 320.42 g/mol. Its IUPAC name is (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol.

Molecular Properties

Compound Name(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
PubChem CID138534857
Molecular FormulaC20H26F2O
Molecular Weight320.42 g/mol
Exact Mass320.20
IUPAC Name(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
SMILESC=CC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O
InChIInChI=1S/C20H26F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h8,11-14,23H,1,4-7,9-10H2,2-3H3/b12-11-,20-19-
InChIKeyMPKJITPHHYGXLZ-KQERFQPYSA-N
XLogP6.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol?
The IUPAC name of (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol (CID 138534857) is (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol.
What is the SMILES notation for (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol?
The canonical SMILES for (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol is C=CC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O.
What is the InChIKey of (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol?
The InChIKey is MPKJITPHHYGXLZ-KQERFQPYSA-N. The full InChI is InChI=1S/C20H26F2O/c1-8-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23/h8,11-14,23H,1,4-7,9-10H2,2-3H3/b12-11-,20-19-.
What are the key properties of (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol?
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol has a molecular weight of 320.42 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol is sourced from PubChem (CID 138534857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).